SCHEMBL30213470

CSCC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](N)CC(C)C)[C@H](C)O)C(C)C)[C@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	5/20	0.62

▸	GCGR	P47871	3/20	0.62

▸	CALCR	P30988	3/20	0.62

▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	CRHR1	P34998	1/20	0.61

▸	CRHR2	Q13324	1/20	0.61

▸	TFPI	P10646	1/20	0.60

▸	CXCR4	P61073	1/20	0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL29429567	0.95	NPY2R (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432168	0.91	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182744	0.91	NPY2R (0.67)	GLP1RGCGRCALCRNPY2RNPY4R
SCHEMBL31182900	0.90	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182608	0.90	NPY2R (0.59)	GLP1RGCGRCALCRNPY2RNPY4R
SCHEMBL31182599	0.89	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31146614	0.88	NPY2R (0.73)	GLP1RCALCRNPY2RNPY4RNPY5R
SCHEMBL30843963	0.88	CALCR (0.71)	GLP1RGCGRCALCRNPY2RNPY4R
SCHEMBL29523674	0.88	CALCR (0.70)	GLP1RGCGRCALCRNPY2RNPY4R
SCHEMBL31182743	0.88	NPY2R (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11634465-B2	Analogues of VDAC1-derived peptides	B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNLVERSITY (IL)	2023-04-25	—	—	US	disclosed
US-20230066049-A1	PEPTIDES USEFUL IN PRESERVATION AND/OR RESTORATION OF FUNCTIONAL PANCREATIC ISLETS AND IN TREATING DIABETES	NAT INST BIOTECHNOLOGY NEGEV LTD (IL)	2023-03-02	—	—	US	disclosed